10-[(4-chlorophenyl)methyl]-5,11-dioxo-N-(2-phenylethyl)-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(4-chlorophenyl)methyl]-5,11-dioxo-N-(2-phenylethyl)-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(4-chlorophenyl)methyl]-5,11-dioxo-N-(2-phenylethyl)-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C529-0618 |
| Compound Name: | 10-[(4-chlorophenyl)methyl]-5,11-dioxo-N-(2-phenylethyl)-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 515.03 |
| Molecular Formula: | C29 H23 Cl N2 O3 S |
| Smiles: | C(CNC(c1ccc2c(c1)N(Cc1ccc(cc1)[Cl])C(c1ccccc1S2=O)=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.6334 |
| logD: | 4.6334 |
| logSw: | -4.9379 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.04 |
| InChI Key: | LEMXUNSJQDOOHD-UHFFFAOYSA-N |